2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol

C7H14O4 — CID 129257886

IUPAC2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol
SMILESCOCC1CC(O)C(CO)O1
InChIInChI=1S/C7H14O4/c1-10-4-5-2-6(9)7(3-8)11-5/h5-9H,2-4H2,1H3
InChIKeyPSRZGGOTJRVPKL-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.86
Rot. Bonds3

About 2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol

2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol (PubChem CID 129257886) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol
PubChem CID129257886
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol
SMILESCOCC1CC(O)C(CO)O1
InChIInChI=1S/C7H14O4/c1-10-4-5-2-6(9)7(3-8)11-5/h5-9H,2-4H2,1H3
InChIKeyPSRZGGOTJRVPKL-UHFFFAOYSA-N
XLogP-0.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol
CID 130147586
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol
CID 11137649
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
CID 142600377
CID 59968610
CID 59968610
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol (CID 129257886) is 2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol is COCC1CC(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol?
The InChIKey is PSRZGGOTJRVPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-10-4-5-2-6(9)7(3-8)11-5/h5-9H,2-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol?
2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol has a molecular weight of 162.18 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol is sourced from PubChem (CID 129257886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).